Converts volume fractions of hydrocarbon mixtures to molar fractions
Switch branches/tags
Nothing to show
Clone or download
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
.gitignore
LICENSE
README.md
vol-to-mole.py

README.md

vol-to-mole

DOI

Converts volume fractions of liquid hydrocarbon mixtures to molar fractions. Also supports calculating the equilibrium composition given reactant mole fractions. The mole fractions of the fuel components, plus oxygen and nitrogen at stoichiometric conditions, are reported as results.

Currently supports the following species:

  • n-heptane (nc7h16)
  • iso-octane (ic8h18)
  • toluene (c6h5ch3)
  • n-decane (nc10h22)
  • n-dodecane (nc12h26)
  • n-hexadecane (cetane, nc16h34)
  • iso-cetane (hmn, ic16h34)
  • n-propylbenzene (nc9h12, c6h5ch2ch2ch3)
  • mesitylene (c6h3(ch3)3)
  • methyl decanoate (md, methyl caprate, c11h22o2)
  • 1-pentene (c5h10-1)
  • 2-pentene (c5h10-2)
  • 1-hexene (c6h12-1)
  • methylcyclohexane (MCH)
  • butane (c4h10)
  • n-pentane (c5h12)
  • 2-methylbutane (ic5h12, c5h12-2)
  • 2-methylhexane (c7h16-2)
  • 2-methylheptane (c8h18-2)
  • xylene (c8h10)
  • methanol (ch3oh)
  • ethanol (c2h5oh)
  • propanol (c3h7oh)
  • n-butanol (c4h9oh)
  • isobutanol (2-methyl-1-propanol)

Usage

From the command line, use python vol-to-mole.py for converting volume fraction to mole fraction. Or, if only obtaining the equilibrium composition is desired, use python vol-to-mole.py equil.

At the prompt, enter the reactant species names and volume (or mole) fractions: e.g., nc7h16 0.2.

License

vol-to-mole is released under the modified BSD license, see LICENSE for details.

Citation

If you use this software as part of a scholarly publication, please cite the software directly using the DOI: 10.5281/zenodo.44328

Author

Created by Kyle Niemeyer. Email address: kyle.niemeyer@gmail.com